SCHEMBL20644643

SCHEMBL20644643

CN(S)CC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CDC25B P30305 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 1/20 0.43
SLC15A1 P46059 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14586581 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377215 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377212 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19726788 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL11586183 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL10234080 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL16285813 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL10287435 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8911820 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL18283191 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016859-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2019-01-17 US disclosed